Geometry & MOs

Info

ID:

40131

PubChem CID:

8143614

Reduced:

ClOSN3C13H15 (1)

Stoich.:

ABCD3E13F15 (1)

Weight, g/mol:

394.180053

ΔHf, kcal/mol:

47.22

Dipole, Da:

11.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.866752

Charge, e:

 1

Chem-info

IUPAC name:

3-(pyrrolidin-1-ium-1-ylmethyl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations